<2-(4-fluoro-3-nitrophenyl)-acetylamino>-acetic acid | 192508-38-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: <2-(4-fluoro-3-nitrophenyl)-acetylamino>-acetic acid
• 英文别名: Glycine, N-[(4-fluoro-3-nitrophenyl)acetyl]-；2-[[2-(4-fluoro-3-nitrophenyl)acetyl]amino]acetic acid
• CAS: 192508-38-6
• 化学式: C₁₀H₉FN₂O₅
• 分子量: 256.19
• InChiKey: BHJMHSWSWCTPQB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  112
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  <2-(4-fluoro-3-nitrophenyl)-acetylamino>-acetic acid 在 三氯化硼 、 1-羟基苯并三唑 、 三乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-(4-fluoro-3-nitrophenyl)-N-<(3-hydroxy-4-methoxy-benzylcarbamoyl)-methyl>acetamide
  参考文献：
  名称：

  The first synthesis of a 15-membered macrocycle. Model of ring I of kistamycin

  摘要：

  The intramolecular SNAr reaction of a linear peptid precursor, whose termini carry respectively an ortho fluoro-nitro group and a phenol function, gives the 15-membered ring compound in good yield, under mild conditions. (C) 1997 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)00941-6
• 作为产物：
  描述：

  4-氟-3-硝基苯乙酸 在 potassium carbonate 、 三乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 甲醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 10.0h， 生成 <2-(4-fluoro-3-nitrophenyl)-acetylamino>-acetic acid
  参考文献：
  名称：

  Synthetic studies towards western and eastern macropolypeptide subunits of kistamycin

  摘要：

  The western subunit (fused bicyclic 16+15 membered ring) was synthesized by sequential intramolecular SNAr reaction and the first 17-membered ring compound as model of the eastern subunit was obtained by an intramolecular Ni-0 mediated coupling reaction. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00171-4

文献信息

• The first synthesis of a 15-membered macrocycle. Model of ring I of kistamycin
  作者：Georges Roussi、Eduardo González Zamora、Annie-Claude Carbonnelle、René Beugelmans

  DOI：10.1016/s0040-4039(97)00941-6

  日期：1997.6

  The intramolecular SNAr reaction of a linear peptid precursor, whose termini carry respectively an ortho fluoro-nitro group and a phenol function, gives the 15-membered ring compound in good yield, under mild conditions. (C) 1997 Published by Elsevier Science Ltd.
• Synthetic studies towards western and eastern macropolypeptide subunits of kistamycin
  作者：René Beugelmans、Georges Roussi、Eduardo González Zamora、Annie-Claude Carbonnelle

  DOI：10.1016/s0040-4020(99)00171-4

  日期：1999.4

  The western subunit (fused bicyclic 16+15 membered ring) was synthesized by sequential intramolecular SNAr reaction and the first 17-membered ring compound as model of the eastern subunit was obtained by an intramolecular Ni-0 mediated coupling reaction. (C) 1999 Elsevier Science Ltd. All rights reserved.